Ee. Vogel et al., APPLICATION OF GLAUBER STATES TO THE VIBRONIC SPECTRUM OF MAGNETIC-IMPURITIES IN CRYSTALS, Zeitschrift für physikalische Chemie, 200, 1997, pp. 227-244
Citations number
19
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Glauber states are suitable for describing oscillators displaced from
the origin, therefore they are appropriate for dealing with the local
vibrations of a multiatomic system after a Jahn-Teller distortion has
taken place. The resulting wave functions based on displaced harmonic
oscillators are not orthogonal. In the present paper we describe a way
for using such functions in the numeric evaluation of properties rela
ted to the vibronic spectra of real systems. The presentation is divid
ed into three parts: 1) Review of the main properties of Glauber state
s; 2) Analytic application of them to the ground states for some gener
al couplings like epsilon X T-1, epsilon X T-2, and tau(2) X T-1; 3) T
he central part of the work corresponds to the numerical application o
f Glauber states to excited states of the lower multiplet of Fe2+ in I
I-VI zinc-blende compounds (CdTe,ZnS), explaining the corresponding in
frared absorption spectra.The discussion will cover the following poin
ts: handling of the symmetry properties of the system; formation of al
gorithms for the computer calculations based on Glauber states; compar
ison with experimental spectra; comparison with other numerical method
s. In the concluding remarks, the advantages and disadvantages of this
method based on Glauber states will be outlined.